4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc

C56H56N2O6Zn — CID 10581625

IUPAC4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc
SMILESCCN(CC)C(=O)c1cc2ccccc2c(-c2c(OCCCCCCOc3ccc4ccccc4c3-c3c(O)c(C(=O)N(CC)CC)cc4ccccc34)ccc3ccccc23)c1O.[Zn]
InChIInChI=1S/C56H56N2O6.Zn/c1-5-57(6-2)55(61)45-35-39-23-13-17-27-43(39)51(53(45)59)49-41-25-15-11-21-37(41)29-31-47(49)63-33-19-9-10-20-34-64-48-32-30-38-22-12-16-26-42(38)50(48)52-44-28-18-14-24-40(44)36-46(54(52)60)56(62)58(7-3)8-4;/h11-18,21-32,35-36,59-60H,5-10,19-20,33-34H2,1-4H3;
InChIKeyLURXTLFFWNLSTN-UHFFFAOYSA-N
MW918.46 g/mol
LogP13.02
Rot. Bonds17

About 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc

4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc (PubChem CID 10581625) has the molecular formula C56H56N2O6Zn and a molecular weight of 918.46 g/mol. Its IUPAC name is 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc.

Molecular Properties

Compound Name4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc
PubChem CID10581625
Molecular FormulaC56H56N2O6Zn
Molecular Weight918.46 g/mol
Exact Mass916.34
IUPAC Name4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc
SMILESCCN(CC)C(=O)c1cc2ccccc2c(-c2c(OCCCCCCOc3ccc4ccccc4c3-c3c(O)c(C(=O)N(CC)CC)cc4ccccc34)ccc3ccccc23)c1O.[Zn]
InChIInChI=1S/C56H56N2O6.Zn/c1-5-57(6-2)55(61)45-35-39-23-13-17-27-43(39)51(53(45)59)49-41-25-15-11-21-37(41)29-31-47(49)63-33-19-9-10-20-34-64-48-32-30-38-22-12-16-26-42(38)50(48)52-44-28-18-14-24-40(44)36-46(54(52)60)56(62)58(7-3)8-4;/h11-18,21-32,35-36,59-60H,5-10,19-20,33-34H2,1-4H3;
InChIKeyLURXTLFFWNLSTN-UHFFFAOYSA-N
XLogP13.02
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.46
LogP ≤ 513.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc with MolForge

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Related Compounds

N,N-diethyl-1-naphthalen-2-ylnaphthalene-2-carboxamide
CID 59365458
1-[2-[4-[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]naphthalen-2-ol
CID 12008941
1-(2-pentoxynaphthalen-1-yl)naphthalen-2-ol
CID 58560218
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
3-hydroxy-N-(4-hydroxybutyl)-4-(2-methoxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 102371243
3-(2,5-dihexoxyphenyl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 100970087
N,N-diethyl-3,5-dihydroxynaphthalene-2-carboxamide
CID 70248238
(4-octoxyphenyl) 4-octoxy-2-[7-[1-[2-[7-[5-octoxy-2-(4-octoxyphenoxy)carbonylphenoxy]-7-oxoheptoxy]naphthalen-1-yl]naphthalen-2-yl]oxyheptanoyloxy]benzoate
CID 102420063
N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
CID 43319188
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
tert-butyl 3-hydroxy-4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-1-yl]naphthalene-2-carboxylate
CID 100966328
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc?
The IUPAC name of 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc (CID 10581625) is 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc.
What is the SMILES notation for 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc?
The canonical SMILES for 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc is CCN(CC)C(=O)c1cc2ccccc2c(-c2c(OCCCCCCOc3ccc4ccccc4c3-c3c(O)c(C(=O)N(CC)CC)cc4ccccc34)ccc3ccccc23)c1O.[Zn].
What is the InChIKey of 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc?
The InChIKey is LURXTLFFWNLSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56N2O6.Zn/c1-5-57(6-2)55(61)45-35-39-23-13-17-27-43(39)51(53(45)59)49-41-25-15-11-21-37(41)29-31-47(49)63-33-19-9-10-20-34-64-48-32-30-38-22-12-16-26-42(38)50(48)52-44-28-18-14-24-40(44)36-46(54(52)60)56(62)58(7-3)8-4;/h11-18,21-32,35-36,59-60H,5-10,19-20,33-34H2,1-4H3;.
What are the key properties of 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc?
4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc has a molecular weight of 918.46 g/mol, XLogP of 13.02, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[1-[3-(diethylcarbamoyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-yl]oxyhexoxy]naphthalen-1-yl]-N,N-diethyl-3-hydroxynaphthalene-2-carboxamide;zinc is sourced from PubChem (CID 10581625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).